Molecular Dynamic Simulation Reveals Damaging Impact of RAC1 F28L Mutation in the Switch I Region

Cancer Associated E17K Mutation Causes Rapid Conformational Drift in AKT1 Pleckstrin Homology (PH) Domain

(2013) Ambuj Kumar et al.   PLoS One

RAC1P29S is a spontaneously activating cancer-associated GTPase

(2013) M. J. Davis et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational screening and molecular dynamics simulation of disease associated nsSNPs in CENP-E

(2012) Ambuj Kumar et al.   MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS

Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma

(2012) Michael Krauthammer et al.   NATURE GENETICS

In silico investigation of molecular mechanism of laminopathy caused by a point mutation (R482W) in lamin A/C protein

(2011) Vidya Rajendran et al.   AMINO ACIDS

Molecular Dynamics Simulations of Protein Targets Identified in Mycobacterium tuberculosis

(2011) W. F. de Azevedo   CURRENT MEDICINAL CHEMISTRY

Bio-Inspired Algorithms Applied to Molecular Docking Simulations

(2011) G. Heberle et al.   CURRENT MEDICINAL CHEMISTRY

Rac1 Targeting Suppresses Human Non-Small Cell Lung Adenocarcinoma Cancer Stem Cell Activity

(2011) Shailaja Akunuru et al.   PLoS One

Molecular modeling and dynamics simulation of human cyclin-dependent kinase 3 complexed with inhibitors

(2009) Patrícia Cardoso Perez et al.   COMPUTERS IN BIOLOGY AND MEDICINE

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Computational Methods for Calculation of Ligand-Binding Affinity

(2008) Walter de Azevedo Jr. et al.   CURRENT DRUG TARGETS

Rho Family GTPase Modification and Dependence on CAAXMotif-signaled Posttranslational Modification

(2008) Patrick J. Roberts et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

CDK9 a Potential Target for Drug Development

(2008) Fernanda Canduri et al.   Medicinal Chemistry